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Supercomputer and Chemistry 2
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Description for Supercomputer and Chemistry 2
Paperback. Ottobrunn, November 19-20, 1990 Num Pages: 168 pages, 58 black & white illustrations, 21 black & white tables, biography. BIC Classification: PN; UKC; UY. Category: (P) Professional & Vocational; (UP) Postgraduate, Research & Scholarly. Dimension: 235 x 155 x 10. Weight in Grams: 310.
Supercomputing and networking are of great importance in the field of computer chemistry. In this volume some fundamen- tals are discussed; new results are presented in the paral- lelization of a direct SCF on workstations and of several application programs, in the long time dynamics of proteins and for the IGLO method. A general overview of quantum che- mical calculations of small molecules is included. That com- putational methods complement experimental approaches, is demonstrated with short-lived intermediates (carbocations, alkyl radicals) and the 3-D-structure of saruplase-domains.
Supercomputing and networking are of great importance in the field of computer chemistry. In this volume some fundamen- tals are discussed; new results are presented in the paral- lelization of a direct SCF on workstations and of several application programs, in the long time dynamics of proteins and for the IGLO method. A general overview of quantum che- mical calculations of small molecules is included. That com- putational methods complement experimental approaches, is demonstrated with short-lived intermediates (carbocations, alkyl radicals) and the 3-D-structure of saruplase-domains.
Product Details
Format
Paperback
Publication date
1991
Publisher
Springer-Verlag Berlin and Heidelberg GmbH & Co. KG Germany
Number of pages
168
Condition
New
Number of Pages
168
Place of Publication
Berlin, Germany
ISBN
9783540544111
SKU
V9783540544111
Shipping Time
Usually ships in 15 to 20 working days
Ref
99-15
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